[(4E,6Z,8S,9S,10E,12S,13R,14S,16S,17R)-14-hydroxy-8,17-dimethoxy-4,10,12,13,16-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;rutherfordium

C29H40N2O8Rf — CID 59990962

About [(4E,6Z,8S,9S,10E,12S,13R,14S,16S,17R)-14-hydroxy-8,17-dimethoxy-4,10,12,13,16-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;rutherfordium

[(4E,6Z,8S,9S,10E,12S,13R,14S,16S,17R)-14-hydroxy-8,17-dimethoxy-4,10,12,13,16-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;rutherfordium (PubChem CID 59990962) has the molecular formula C29H40N2O8Rf and a molecular weight of 811.64 g/mol. Its IUPAC name is [(4E,6Z,8S,9S,10E,12S,13R,14S,16S,17R)-14-hydroxy-8,17-dimethoxy-4,10,12,13,16-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;rutherfordium.

Molecular Properties

• Compound Name: [(4E,6Z,8S,9S,10E,12S,13R,14S,16S,17R)-14-hydroxy-8,17-dimethoxy-4,10,12,13,16-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;rutherfordium
• PubChem CID: 59990962
• Molecular Formula: C29H40N2O8Rf
• Molecular Weight: 811.64 g/mol
• Exact Mass: 811.40
• IUPAC Name: [(4E,6Z,8S,9S,10E,12S,13R,14S,16S,17R)-14-hydroxy-8,17-dimethoxy-4,10,12,13,16-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;rutherfordium
• SMILES: CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C=C(C2=O)[C@H](OC)[C@@H](C)C[C@H](O)[C@H](C)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O.[Rf]
• InChI: InChI=1S/C29H40N2O8.Rf/c1-15-9-8-10-24(37-6)27(39-29(30)36)17(3)11-16(2)19(5)23(33)12-18(4)26(38-7)21-13-20(32)14-22(25(21)34)31-28(15)35;/h8-11,13-14,16,18-19,23-24,26-27,33H,12H2,1-7H3,(H2,30,36)(H,31,35);/b10-8-,15-9+,17-11+;/t16-,18-,19+,23-,24-,26+,27-;/m0./s1
• InChIKey: UWWKSQRTVCBISZ-GGHUVQKKSA-N
• XLogP: 2.68
• TPSA: 154.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	811.64
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(4E,6Z,8S,9S,10E,12S,13R,14S,16S,17R)-14-hydroxy-8,17-dimethoxy-4,10,12,13,16-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;rutherfordium?

The IUPAC name of [(4E,6Z,8S,9S,10E,12S,13R,14S,16S,17R)-14-hydroxy-8,17-dimethoxy-4,10,12,13,16-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;rutherfordium (CID 59990962) is [(4E,6Z,8S,9S,10E,12S,13R,14S,16S,17R)-14-hydroxy-8,17-dimethoxy-4,10,12,13,16-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;rutherfordium.

What is the SMILES notation for [(4E,6Z,8S,9S,10E,12S,13R,14S,16S,17R)-14-hydroxy-8,17-dimethoxy-4,10,12,13,16-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;rutherfordium?

The canonical SMILES for [(4E,6Z,8S,9S,10E,12S,13R,14S,16S,17R)-14-hydroxy-8,17-dimethoxy-4,10,12,13,16-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;rutherfordium is CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C=C(C2=O)[C@H](OC)[C@@H](C)C[C@H](O)[C@H](C)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O.[Rf].

What is the InChIKey of [(4E,6Z,8S,9S,10E,12S,13R,14S,16S,17R)-14-hydroxy-8,17-dimethoxy-4,10,12,13,16-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;rutherfordium?

The InChIKey is UWWKSQRTVCBISZ-GGHUVQKKSA-N. The full InChI is InChI=1S/C29H40N2O8.Rf/c1-15-9-8-10-24(37-6)27(39-29(30)36)17(3)11-16(2)19(5)23(33)12-18(4)26(38-7)21-13-20(32)14-22(25(21)34)31-28(15)35;/h8-11,13-14,16,18-19,23-24,26-27,33H,12H2,1-7H3,(H2,30,36)(H,31,35);/b10-8-,15-9+,17-11+;/t16-,18-,19+,23-,24-,26+,27-;/m0./s1.

What are the key properties of [(4E,6Z,8S,9S,10E,12S,13R,14S,16S,17R)-14-hydroxy-8,17-dimethoxy-4,10,12,13,16-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;rutherfordium?

[(4E,6Z,8S,9S,10E,12S,13R,14S,16S,17R)-14-hydroxy-8,17-dimethoxy-4,10,12,13,16-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;rutherfordium has a molecular weight of 811.64 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(4E,6Z,8S,9S,10E,12S,13R,14S,16S,17R)-14-hydroxy-8,17-dimethoxy-4,10,12,13,16-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;rutherfordium is sourced from PubChem (CID 59990962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).